Large Eddy Simulation of n-dodecane spray flames using Flamelet Generated Manifolds

Abstract In the present study the Engine Combustion Network (ECN) “Spray A” target conditions are investigated using the Large Eddy Simulation (LES) and the Flamelet Generated Manifold (FGM) methods. We investigate n -dodecane spray flames at three different ambient oxygen levels in engine relevant conditions. The flamelet database is generated by simulating the counterflow diffusion flamelets for two recently developed n -dodecane mechanisms with 257-species/1521-reactions (Narayanaswamy et al., 2014) and 130-species/2395-reactions (Ranzi et al., 2014). In addition to validation in non-reacting conditions, we evaluate the performance of the newly implemented FGM model by comparing spray ignition delay times and flame lift-off lengths to the available experimental data within the ECN. The obtained ignition delay times agree well with the experimental data for the mechanism by Ranzi et al., 2014 and are over-predicted for the mechanism by Narayanaswamy et al., 2014. This observation is consistent with a respective trend in the observed flame lift-off lengths. Further, we provide evidence of only minor spray realization to realization variation of the ignition delay time in the present configuration. The spray flame structure is noted to consist of two parts: (1) a diffusion flame enveloping the combusting part of the spray close to the stoichiometric isoline, and (2) a premixed combustion regime in the fuel-rich core of the spray. During spray ignition, the model predicts the spatio-temporal phases of ignition. The model also indicates the presence of a ‘cool flame’ between the flame lift-off length and the nozzle. For the first time, we quantify the size of such a topological structure. In general, the flamelet data showed significant differences in the ignition characteristics between the two chemical mechanisms for all three ambient oxygen cases, but indicated little differences for a steady flame.

[1]  E. Ranzi,et al.  Reduced Kinetic Schemes of Complex Reaction Systems: Fossil and Biomass‐Derived Transportation Fuels , 2014 .

[2]  E. Hawkes,et al.  Ignition in compositionally and thermally stratified n-heptane/air mixtures: A direct numerical simulation study , 2015 .

[3]  Daniel C. Haworth,et al.  Simulations of transient n-heptane and n-dodecane spray flames under engine-relevant conditions using a transported PDF method , 2013 .

[4]  John Abraham,et al.  Evaluation of an Unsteady Flamelet Progress Variable Model for Autoignition and Flame Lift-Off in Diesel Jets , 2013 .

[5]  N. Frossling,et al.  Uber die Verdunstung fallender Tropfen , 1938 .

[6]  Yuanjiang Pei,et al.  A Comprehensive Study of Effects of Mixing and Chemical Kinetic Models on Predictions of n-heptane Jet Ignitions with the PDF Method , 2013 .

[7]  Van Oijen,et al.  Modelling of Premixed Laminar Flames using Flamelet-Generated Manifolds , 2000 .

[8]  Sebastian Verhelst,et al.  High-speed characterization of ECN spray: a using various diagnostic techniques , 2013 .

[9]  Laszlo Fuchs,et al.  Large-Eddy Simulation of Droplet Stokes Number Effects on Turbulent Spray Shape , 2010 .

[10]  S. Pope Small scales, many species and the manifold challenges of turbulent combustion , 2013 .

[11]  L. Fuchs,et al.  Effect of Droplet Size and Atomization on Spray Formation: A Priori Study Using Large-Eddy Simulation , 2011 .

[12]  P. K. Senecal,et al.  Large eddy simulation of a reacting spray flame with multiple realizations under compression ignition engine conditions , 2015 .

[13]  Julien Manin,et al.  Simultaneous formaldehyde PLIF and high-speed schlieren imaging for ignition visualization in high-pressure spray flames , 2015 .

[14]  James C. Sutherland,et al.  Quantification of differential diffusion in nonpremixed systems , 2004 .

[15]  Ulrich Maas,et al.  Simplifying chemical kinetics: Intrinsic low-dimensional manifolds in composition space , 1992 .

[16]  C Cemil Bekdemir,et al.  Modeling fuel spray auto-ignition using the FGM approach : effect of tabulation method , 2012 .

[17]  J. Warnatz,et al.  Numerical investigation of time-dependent properties and extinction of strained methane and propane-air flamelets , 1991 .

[18]  Dennis L. Siebers,et al.  Flame Lift-Off on Direct-Injection Diesel Fuel Jets: Oxygen Concentration Effects , 2002 .

[19]  Franz X. Tanner,et al.  Large Eddy Simulation of High Gas Density Effects in Fuel Sprays , 2013 .

[20]  F. Jaberi,et al.  Large eddy simulation of turbulent spray combustion , 2015 .

[21]  C Cemil Bekdemir,et al.  Manifold resolution study of the FGM method for an igniting diesel spray , 2013 .

[22]  P. Pepiot,et al.  A chemical mechanism for low to high temperature oxidation of n-dodecane as a component of transportation fuel surrogates , 2014 .

[23]  Laszlo Fuchs,et al.  A low-dissipative, scale-selective discretization scheme for the Navier–Stokes equations , 2012 .

[24]  A. Gosman,et al.  Solution of the implicitly discretised reacting flow equations by operator-splitting , 1986 .

[25]  Robert J. Kee,et al.  On reduced mechanisms for methaneair combustion in nonpremixed flames , 1990 .

[26]  C. Duwig,et al.  Large-eddy simulation on the effect of injection pressure and density on fuel jet mixing in gas engines , 2014 .

[27]  John Abraham,et al.  COMPUTED AND MEASURED FUEL VAPOR DISTRIBUTION IN A DIESEL SPRAY , 2010 .

[28]  Jacqueline H. Chen,et al.  Modeling scalar dissipation and scalar variance in large eddy simulation: Algebraic and transport equation closures , 2012 .

[29]  C Cemil Bekdemir,et al.  Predicting diesel combustion characteristics with Large-Eddy Simulations including tabulated chemical kinetics , 2013 .

[30]  Giulio Borghesi,et al.  Complex chemistry DNS of n-heptane spray autoignition at high pressure and intermediate temperature conditions , 2013 .

[31]  Raul Payri,et al.  ENGINE COMBUSTION NETWORK: COMPARISON OF SPRAY DEVELOPMENT, VAPORIZATION, AND COMBUSTION IN DIFFERENT COMBUSTION VESSELS , 2012 .

[32]  V. Golovitchev,et al.  A Numerical Study of the Effect of EGR on Flame Lift-off in n-Heptane Sprays Using a Novel PaSR Model Implemented in OpenFOAM , 2012 .

[33]  Heinz Pitsch,et al.  Development of an Experimental Database and Kinetic Models for Surrogate Diesel Fuels , 2007 .

[34]  Yuanjiang Pei,et al.  EVALUATION OF TURBULENCE-CHEMISTRY INTERACTION UNDER DIESEL ENGINE CONDITIONS WITH MULTI-FLAMELET RIF MODEL , 2014 .

[35]  W. Ranz Evaporation from drops : Part II , 1952 .

[36]  Martti Larmi,et al.  LARGE EDDY SIMULATION OF HIGH-VELOCITY FUEL SPRAYS: STUDYING MESH RESOLUTION AND BREAKUP MODEL EFFECTS FOR SPRAY A , 2013 .

[37]  S. H. Kim,et al.  Large eddy simulation of dilute reacting sprays: Droplet evaporation and scalar mixing , 2013 .

[38]  Francesco Contino,et al.  Comparison of well-mixed and multiple representative interactive flamelet approaches for diesel spray combustion modelling , 2014 .

[39]  Laszlo Fuchs,et al.  Large-Eddy Simulation of Droplet Stokes Number Effects on Mixture Quality in Fuel Sprays , 2010 .

[40]  Heinz Pitsch,et al.  An efficient flamelet-based combustion model for compressible flows , 2015 .

[41]  Lmt Bart Somers,et al.  DNS with detailed and tabulated chemistry of engine relevant igniting systems , 2014 .

[42]  Dennis L. Siebers,et al.  Relationship Between Diesel Fuel Spray Vapor Penetration/Dispersion and Local Fuel Mixture Fraction , 2011 .

[43]  S. M. Sarathy,et al.  Comprehensive chemical kinetic modeling of the oxidation of 2-methylalkanes from C7 to C20 , 2011 .

[44]  Olivier Colin,et al.  Large-eddy simulation of a fuel-lean premixed turbulent swirl-burner , 2008 .

[45]  Konstantinos Boulouchos,et al.  Influence of turbulence–chemistry interaction for n-heptane spray combustion under diesel engine conditions with emphasis on soot formation and oxidation , 2014 .

[46]  Caroline L. Genzale,et al.  Comparison of Diesel Spray Combustion in Different High-Temperature, High-Pressure Facilities , 2010 .

[47]  X. Bai,et al.  Large Eddy Simulation of Air Entrainment and Mixing in Reacting and Non-Reacting Diesel Sprays , 2014, Flow, Turbulence and Combustion.

[48]  Raul Payri,et al.  Experimental characterization of diesel ignition and lift-off length using a single-hole ECN injector , 2013 .

[49]  C. Law,et al.  Hierarchical and comparative kinetic modeling of laminar flame speeds of hydrocarbon and oxygenated fuels , 2012 .

[50]  C. Westbrook,et al.  A Comprehensive Modeling Study of iso-Octane Oxidation , 2002 .

[51]  C. Wilke A Viscosity Equation for Gas Mixtures , 1950 .

[52]  P. Sagaut,et al.  Boundary Conditions for Large-Eddy Simulation of Compressible Flows , 2009 .

[53]  Raul Payri,et al.  Engine combustion network (ECN): characterization and comparison of boundary conditions for different combustion vessels , 2012 .

[54]  J. Dukowicz A particle-fluid numerical model for liquid sprays , 1980 .

[55]  Raul Payri,et al.  Fuel temperature influence on diesel sprays in inert and reacting conditions , 2012 .

[56]  S. Saxena,et al.  Thermal conductivity of binary, ternary and quaternary mixtures of rare gases , 1967 .

[57]  Shashank,et al.  Modeling partially premixed combustion behavior in multiphase LES , 2015 .

[58]  Hrvoje Jasak,et al.  A tensorial approach to computational continuum mechanics using object-oriented techniques , 1998 .

[59]  Y. Ju,et al.  Direct numerical simulations of exhaust gas recirculation effect on multistage autoignition in the negative temperature combustion regime for stratified HCCI flow conditions by using H2O2 addition , 2013 .

[60]  R. Reitz Modeling atomization processes in high-pressure vaporizing sprays , 1987 .

[61]  Heinz Pitsch,et al.  An extended multi-regime flamelet model for IC engines , 2012 .

[62]  Heinz Pitsch,et al.  Development of a dynamic model for the subfilter scalar variance using the concept of optimal estimators , 2008 .

[63]  John E. Dec,et al.  Advanced compression-ignition engines—understanding the in-cylinder processes , 2009 .

[64]  D. Veynante,et al.  Assessing LES models based on tabulated chemistry for the simulation of Diesel spray combustion , 2014 .

[65]  L. Pickett,et al.  Orifice Diameter Effects on Diesel Fuel Jet Flame Structure , 2001 .

[66]  Tianfeng Lu,et al.  Development and validation of an n-dodecane skeletal mechanism for spray combustion applications , 2014 .

[67]  P. K. Senecal,et al.  LARGE EDDY SIMULATION OF FUEL-SPRAY UNDER NON-REACTING IC ENGINE CONDITIONS , 2013 .

[68]  R. Reitz Directions in internal combustion engine research , 2013 .

[69]  Robert J. Kee,et al.  Calculation of the structure and extinction limit of a methane-air counterflow diffusion flame in the forward stagnation region of a porous cylinder , 1985 .

[70]  P. Sagaut,et al.  Large Eddy Simulation for Compressible Flows , 2009 .

[71]  R. Reitz,et al.  MODELING SPRAY ATOMIZATION WITH THE KELVIN-HELMHOLTZ/RAYLEIGH-TAYLOR HYBRID MODEL , 1999 .

[72]  T. Lucchini,et al.  RANS predictions of turbulent diffusion flames: comparison of a reactor and a flamelet combustion model to the well stirred approach , 2015 .

[73]  P. Moin,et al.  A dynamic model for subgrid-scale variance and dissipation rate of a conserved scalar , 1998 .

[74]  Luc Vervisch,et al.  Three facets of turbulent combustion modelling: DNS of premixed V-flame, LES of lifted nonpremixed flame and RANS of jet-flame , 2004 .

[75]  D. Veynante,et al.  Large-Eddy Simulation of Diesel Spray Combustion with Exhaust Gas Recirculation , 2014 .

[76]  Yuanjiang Pei,et al.  Transported probability density function modelling of the vapour phase of an n-heptane jet at diesel engine conditions , 2013 .

[77]  Santosh Tirunagari,et al.  Large-eddy simulation of highly underexpanded transient gas jets , 2013 .

[78]  E. Petersen,et al.  An optimized kinetics model for OH chemiluminescence at high temperatures and atmospheric pressures , 2006 .

[79]  Tianfeng Lu,et al.  Modelling n-dodecane spray and combustion with the transported probability density function method , 2015 .